Quantum Dynamics
Feb 1, 2022
My research on this area has led to the following publications
Publications
The impact of the vibrational coupling of the OH stretch mode on the spectra differs significantly between IR and Raman spectra of …
Kazuki Inoue, Yair Litman, David M. Wilkins, Yuki Nagata, Masanari Okuno
Reactions involving adsorbates on metallic surfaces and impurities in bulk metals are ubiquitous in a wide range of technological …
Yair Litman, Eszter S. Pós, Connor L. Box, Rocco Martinazzo, Reinhard J. Maurer, Mariana Rossi
In Paper I [Litman et al., J. Chem. Phys. (in press) (2022)], we presented the ring-polymer instanton with explicit friction (RPI-EF) …
Yair Litman, Eszter S. Pós, Connor L. Box, Rocco Martinazzo, Reinhard J. Maurer, Mariana Rossi
The temperature dependence of vibrational spectra can provide information about structural changes of a system and also serve as a …
Yair Litman, Jörg Behler, Mariana Rossi
Progress in the atomic-scale modeling of matter over the past decade has been tremendous. This progress has been brought about by …
Venkat Kapil, Mariana Rossi, Ondrej Marsalek, Riccardo Petraglia, Yair Litman, Thomas Spura, Bingqing Cheng, Alice Cuzzocrea, Robert H. Meißner, David M. Wilkins, Benjamin A. Helfrecht, Przemysław Juda, Sébastien P. Bienvenue, Wei Fang, Jan Kessler, Igor Poltavsky, Steven Vandenbrande, Jelle Wieme, Clemence Corminboeuf, Thomas D. Kühne, David E. Manolopoulos, Thomas E. Markland, Jeremy O. Richardson, Alexandre Tkatchenko, Gareth A. Tribello, Veronique Van Speybroeck, Michele Ceriotti
We address the double hydrogen transfer (DHT) dynamics of the porphycene molecule, a complex paradigmatic system in which the making …
Yair Litman, Jeremy O. Richardson, Takashi Kumagai, Mariana Rossi
Tautomerization in single porphycene molecules is investigated on Cu(111), Ag(111), and Au(111) surfaces by a combination of …
Takashi Kumagai, Janina N. Ladenthin, Yair Litman, Mariana Rossi, Leonhard Grill, Sylwester Gawinkowski, Jacek Waluk, Mats Persson